(7S,9S)-5-methoxycarbonyl-7-(2-phenylmethoxyethyl)-8,9-dihydro-7H-benzo[7]annulene-9-carboxylic acid

Systemtic Name: (7S,9S)-5-methoxycarbonyl-7-(2-phenylmethoxyethyl)-8,9-dihydro-7H-benzo[7]annulene-9-carboxylic acid Openeye Name: (7S,9S)-7-(2-benzyloxyethyl)-5-methoxycarbonyl-8,9-dihydro-7H-benzo[7]annulene-9-carboxylic acid CAS Name: (7S,9S)-5-methoxycarbonyl-7-(2-phenylmethoxyethyl)-8,9-dihydro-7H-benzo[7]annulene-9-carboxylic acid IUPAC Name: (7S,9S)-5-methoxycarbonyl-7-(2-phenylmethoxyethyl)-8,9-dihydro-7H-benzo[7]annulene-9-carboxylic acid Traditional Name: (7S,9S)-7-(2-benzoxyethyl)-5-carbomethoxy-8,9-dihydro-7H-benzocycloheptene-9-carboxylic acid Formula: C23H24O5 MolecularWeight: 380.43366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(CC(C2=CC=CC=C21)C(=O)O)CCOCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C[C@@H](C[C@@H](C2=CC=CC=C21)C(=O)O)CCOCC3=CC=CC=C3

InChI

InChI=1S/C23H24O5/c1-27-23(26)21-14-17(11-12-28-15-16-7-3-2-4-8-16)13-20(22(24)25)18-9-5-6-10-19(18)21/h2-10,14,17,20H,11-13,15H2,1H3,(H,24,25)/t17-,20+/m1/s1